| SpectraBase Spectrum ID |
ITuTGyPcoZs |
| Name |
4-Methoxy-6-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanylmethyl]pyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.051109339 u |
| Formula |
C14H14O6S |
| InChI |
InChI=1S/C14H14O6S/c1-17-9-3-11(19-13(15)5-9)7-21-8-12-4-10(18-2)6-14(16)20-12/h3-6H,7-8H2,1-2H3 |
| InChIKey |
SIBFZPVAGDMORO-UHFFFAOYSA-N |
| Molecular Weight |
310.320 g/mol |
| SMILES |
C=1C(OC(=CC1OC)CSCC1=CC(OC)=CC(O1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937613 |
![4-Methoxy-6-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanylmethyl]pyran-2-one](/api/spectrum/ITuTGyPcoZs/structure.png?h=300&w=458 "4-Methoxy-6-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanylmethyl]pyran-2-one")
